[gmx-users] error g_wham
writetoash28 at gmail.com
Sat Feb 8 05:19:54 CET 2014
I followed the tutorial to calculate protein-ligand PMF. I generated the
files as generated tpr-files.dat and pull-files dat using the following
cat umbrella0.tpr umbrella1.tpr umbrella2.tpr umbrella3.tpr umbrella4.tpr
umbrella5.tpr umbrella6.tpr umbrella7.tpr umbrella8.tpr umbrella9.tpr
umbrella10.tpr > tpr-files.dat
cat pullf-umbrella0.xvg pullf-umbrella1.xvg pullf-umbrella2.xvg
pullf-umbrella3.xvg pullf-umbrella4.xvg pullf-umbrella5.xvg
pullf-umbrella6.xvg pullf-umbrella7.xvg pullf-umbrella8.xvg
pullf-umbrella9.xvg pullf-umbrella10.xvg > pull-files.dat
But on running it shows the options in the help files and immediately
fault (core dumped).
I had query as to whether any fault in the input files.
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